NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CompoundMyricetin 3-O-beta-glucuronide
NPACT-IdNPACT00792
IUPAC(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SynonymsMyricetin-3-O-beta-D-glucuronide
PubChem Id5487413
ClassFlavonoid
In-vitro anticancer activtiy 8 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMBWOCQLTCWTIJE-ZUGPOPFOSA-N
InChi1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14-,15-,16+,19-,21+/m0/s1
SMILESO1[C@@H](Oc2c(oc3c(c2=O)c(O)cc(O)c3)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(=O)O
SMARTO[C@@H]1[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H]([C@H]1O)C(O)=O
CAS No.77363-65-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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